(2R)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one

C19H28N2O4 — CID 95176482

IUPAC(2R)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one
SMILESC[C@@H](OC[C@H]1CCCCO1)C(=O)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C19H28N2O4/c1-15(25-14-16-6-4-5-13-24-16)19(23)21-11-9-20(10-12-21)17-7-2-3-8-18(17)22/h2-3,7-8,15-16,22H,4-6,9-14H2,1H3/t15-,16-/m1/s1
InChIKeyALDJKDNJLOFIRC-HZPDHXFCSA-N
MW348.44 g/mol
LogP2.02
Rot. Bonds5

About (2R)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one

(2R)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one (PubChem CID 95176482) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is (2R)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one
PubChem CID95176482
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name(2R)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one
SMILESC[C@@H](OC[C@H]1CCCCO1)C(=O)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C19H28N2O4/c1-15(25-14-16-6-4-5-13-24-16)19(23)21-11-9-20(10-12-21)17-7-2-3-8-18(17)22/h2-3,7-8,15-16,22H,4-6,9-14H2,1H3/t15-,16-/m1/s1
InChIKeyALDJKDNJLOFIRC-HZPDHXFCSA-N
XLogP2.02
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one with MolForge

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Related Compounds

(2S)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]propan-1-one
CID 98772177
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)propan-1-one
CID 100843241
(2R)-1-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]propan-1-one
CID 99789190
(2R)-N-[2-(azepan-1-yl)phenyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
CID 97003852
(3S)-1-[(2S)-2-[[(2S)-oxan-2-yl]methoxy]propanoyl]piperidine-3-carboxylic acid
CID 125118958
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-(oxan-2-ylmethoxy)propan-1-one
CID 120746267
(2S)-1-[(3R)-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one
CID 124777746
1-(3-aminopiperidin-1-yl)-2-(oxan-2-ylmethoxy)propan-1-one;hydrochloride
CID 119381744
1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(oxolan-2-ylmethoxy)propan-1-one
CID 126801766
(2S)-2-[[(2R)-oxan-2-yl]methoxy]-1-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]propan-1-one
CID 100899754
(3R)-4-[(2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]-3-phenylpiperazin-2-one
CID 124832520
(3S)-2-[(2R)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 95169468

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one?
The IUPAC name of (2R)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one (CID 95176482) is (2R)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one.
What is the SMILES notation for (2R)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one?
The canonical SMILES for (2R)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one is C[C@@H](OC[C@H]1CCCCO1)C(=O)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of (2R)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one?
The InChIKey is ALDJKDNJLOFIRC-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-15(25-14-16-6-4-5-13-24-16)19(23)21-11-9-20(10-12-21)17-7-2-3-8-18(17)22/h2-3,7-8,15-16,22H,4-6,9-14H2,1H3/t15-,16-/m1/s1.
What are the key properties of (2R)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one?
(2R)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one has a molecular weight of 348.44 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one is sourced from PubChem (CID 95176482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).